2024
Knowledge Enhanced Representation Learning for Drug Discovery
Thanh Lam Hoang, Marco Luca Sbodio, Marcos Martinez Galindo, Mykhaylo Zayats, Raul Fernandez-Diaz, Victor Valls +3
AAAI 2024technical
Recent research on predicting the binding affinity between drug molecules and proteins use representations learned, through unsupervised learning techniques, from large databases of molecule SMILES and protein sequences. While these representations have significantly enhanced the predictions, they a…